4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine

C19H22ClNO3 — CID 11393899

IUPAC4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine
SMILESCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H22ClNO3/c1-22-18-4-2-3-5-19(18)24-14-17-13-21(10-11-23-17)12-15-6-8-16(20)9-7-15/h2-9,17H,10-14H2,1H3
InChIKeyYRAUTLYWIVLAAX-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.63
Rot. Bonds6

About 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine (PubChem CID 11393899) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine
PubChem CID11393899
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine
SMILESCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H22ClNO3/c1-22-18-4-2-3-5-19(18)24-14-17-13-21(10-11-23-17)12-15-6-8-16(20)9-7-15/h2-9,17H,10-14H2,1H3
InChIKeyYRAUTLYWIVLAAX-UHFFFAOYSA-N
XLogP3.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine (CID 11393899) is 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine is COc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine?
The InChIKey is YRAUTLYWIVLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-22-18-4-2-3-5-19(18)24-14-17-13-21(10-11-23-17)12-15-6-8-16(20)9-7-15/h2-9,17H,10-14H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine has a molecular weight of 347.84 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]morpholine is sourced from PubChem (CID 11393899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).